ergo
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structure describing the data needed by distributors. More...
#include <xc_evaluators.h>
Public Member Functions | |
KsData (Matrix *m_, size_t s) | |
~KsData () | |
Public Attributes | |
Matrix * | excmat |
real * | dR |
real * | dZ |
real | energy |
structure describing the data needed by distributors.
This is the restricted-orbital formalism, cross alpha-beta terms are not needed.
References KsData< Matrix >::dR, and KsData< Matrix >::dZ.
Referenced by xcCallbackGgaR(), xcCallbackLdaR(), and KsData< Matrix >::~KsData().
Referenced by xcCallbackGgaR(), and KsData< Matrix >::~KsData().
Referenced by dft_get_xc(), XCEvaluatorRestricted::getXC(), xcCallbackGgaR(), and xcCallbackLdaR().
Matrix* KsData< Matrix >::excmat |
Referenced by xcCallbackGgaR(), and xcCallbackLdaR().